Bromadoline

Bromadoline

SCHEMBL10697265

CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ SSTR3 P32745 2/20 0.44
▸ TAS1R3 Q7RTX0 3/20 0.44
▸ TAS1R2 Q8TE23 3/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromadoline SCHEMBL1817293 1.00 MLYCD (0.46) MLYCDHDAC3HDAC1HDAC2SSTR3
Bromadoline SCHEMBL1817292 1.00 MLYCD (0.46) MLYCDHDAC3HDAC1HDAC2SSTR3
Bromadoline SCHEMBL124529 0.92 ALDH1A1 (0.46) MLYCDHDAC3HDAC1HDAC2SSTR3
SCHEMBL11472624 0.87 RAB9A (0.59) MLYCDSSTR3TAS1R3TAS1R2TAS1R1
SCHEMBL11472627 0.87 RAB9A (0.59) MLYCDSSTR3TAS1R3TAS1R2TAS1R1
SCHEMBL11464454 0.86 SSTR3 (0.58) MLYCDSSTR3TAS1R3TAS1R2TAS1R1
SCHEMBL11465463 0.86 F10 (0.52) MLYCDTAS1R3TAS1R2TAS1R1KMT2A
SCHEMBL11464453 0.86 SSTR3 (0.58) MLYCDSSTR3TAS1R3TAS1R2TAS1R1
SCHEMBL11465350 0.86 F10 (0.52) MLYCDTAS1R3TAS1R2TAS1R1KMT2A
SCHEMBL10340084 0.85 SSTR3 (0.48) MLYCDSSTR3TAS1R3TAS1R2TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 — — EP claimed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 — — WO claimed
US-4098904-A ANALGESIC N-(2-AMINOCYCLOALIPHATIC)BENZAMIDES THE UPJOHN COMPANY (US) 1978-07-04 — — US claimed
EP-0263208-A2 Antiarrhythmic use of aminocycloalkylamides THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 — — EP disclosed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 — — WO disclosed
US-4215114-A Analgesic N-[2-(furyl-methylamino and 2-thienylmethylamino)cycloaliphatic]be THE UPJOHN COMPANY (US) 1980-07-29 — — US disclosed
US-4197308-A Analgesic N-(2-heterocyclic-amino cycloaliphatic) benzamides THE UPJOHN COMPANY (US) 1980-04-08 — — US disclosed
US-4192885-A Analgesic N-{2-[N'-(2-furylmethyl and 2-thienyl-methyl)-N'-alkylamino]cycloaliphatic}cyanobenzamides THE UPJOHN COMPANY (US) 1980-03-11 — — US disclosed
US-4179501-A Analgesic N-(2-aminocycloaliphatic)azidobenzamides THE UPJOHN COMPANY (US) 1979-12-18 — — US disclosed
US-4153717-A 260/332.2 R THE UPJOHN COMPANY (US) 1979-05-08 — — US disclosed
US-4152459-A Analgesic N-2-(aminocycloaliphatic)-hydroxy, alkoxy and (allylic)alkenyloxy-benzamides THE UPJOHN COMPANY (US) 1979-05-01 — — US disclosed
US-4148914-A Analgesic N-(2-aminocyclo aliphatic)cyanobenzamides THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
US-4098904-A ANALGESIC N-(2-AMINOCYCLOALIPHATIC)BENZAMIDES THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
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