SCHEMBL4964241

SCHEMBL4964241

O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KMT2A Q03164 7/20 0.78
MEN1 O00255 6/20 0.78
RXFP1 Q9HBX9 2/20 0.78
NR1H4 Q96RI1 1/20 0.73
LMNA P02545 2/20 0.72
MAPT P10636 1/20 0.69
LTA4H P09960 1/20 0.68
DHODH Q02127 1/20 0.65
CASP3 P42574 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
PGR P06401 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64

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
SCHEMBL22192264 0.97 RAB9A (0.94) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13393187 0.93 RAB9A (0.86) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11879987 0.91 RAB9A (0.84) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7296687 0.88 RAB9A (0.78) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1747309 0.88 RAB9A (0.78) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7322517 0.87 RAB9A (0.77) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11492866 0.86 RAB9A (0.75) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4628689 0.86 RAB9A (0.75) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4666205 0.85 RAB9A (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1746787 0.85 RAB9A (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO disclosed
EP-0138684-B1 2-(N-PYRROLIDINO)-3-ISOBUTOXY-N-PHENYL-SUBSTITUTED N-BENZYLPROPYL AMINES, THEIR PREPARATION AND THEIR PHARMACEUTICAL USE RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1989-04-12 EP disclosed
US-4645778-A TREATMENT OF CARDIOVASCULAR DISORDERS RIOM LABORATOIRES C.E.R.M. "RL-CERM"S.A. (FR) 1987-02-24 US disclosed
EP-0138684-A2 2-(N-pyrrolidino)-3-isobutoxy-N-phenyl-substituted N-benzylpropyl amines, their preparation and their pharmaceutical use RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1985-04-24 EP disclosed
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed