SCHEMBL11457761

SCHEMBL11457761

Cc1cccc(C)c1NC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.49
▸ BRD4 O60885 5/20 0.48
▸ ATAD2 Q6PL18 5/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM1A O60341 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ HTR1D P28221 1/20 0.42
▸ ALOX12 P18054 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38

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
Bromide SCHEMBL11447604 0.98 HTR2C (0.47) HTR2CBRD4ATAD2CYP1A2MEN1
SCHEMBL1842397 0.81 RAPGEF4 (0.46) HTR2CBRD4ATAD2CYP1A2MEN1
SCHEMBL82566 0.80 BRD4 (0.55) HTR2CBRD4ATAD2CYP1A2MEN1
SCHEMBL22429117 0.80 ALOX12 (0.57) HSD17B10ALOX12EPHX1
SCHEMBL82901 0.79 BRD4 (0.54) HTR2CBRD4ATAD2CYP1A2MEN1
Hydrochloric Acid SCHEMBL70439 0.79 HTR2C (0.54) HTR2CBRD4ATAD2CYP1A2MEN1
Hydrochloric Acid SCHEMBL68445 0.78 BRD4 (0.52) HTR2CBRD4ATAD2CYP1A2MEN1
SCHEMBL11455156 0.76 POLB (0.50) HTR2CBRD4ATAD2KDM1AALOX12
SCHEMBL23360617 0.74 ALDH1A1 (0.47) BRD4ATAD2CYP1A2MEN1CYP3A4
Hydrochloric Acid SCHEMBL23360416 0.73 ALDH1A1 (0.46) BRD4ATAD2CYP1A2MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225606-A ANTIARRHYTHEMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-09-30 — — US disclosed
US-4208418-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-17 — — US disclosed
US-4198411-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-15 — — US disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 — — US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 — — US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 — — US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 — — US disclosed
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