SCHEMBL4390875

SCHEMBL4390875

COc1cc2c(cc1OC)CN(CCCCl)CC2

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.74
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
SLC6A4 P31645 1/20 0.57
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10666298 0.92 ABCB1 (0.61) ABCB1KMT2AMAOAMAOBSLC6A4
SCHEMBL10315942 0.85 ABCB1 (1.00) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL10278367 0.85 ABCB1 (0.74) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL2792311 0.85 ABCB1 (0.74) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL2769113 0.84 ABCB1 (0.68) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL23001345 0.84 ABCB1 (0.97) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL4228297 0.84 ABCB1 (0.76) ABCB1KDM4EGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL2137481 0.84 ABCB1 (0.72) ABCB1KDM4EGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL4256189 0.84 ABCB1 (0.72) ABCB1KDM4EGAAMAPTRAB9A
SCHEMBL29634116 0.84 ABCB1 (0.76) ABCB1KDM4EGAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144405-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-11-25 EP disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed
US-5565470-A HYPOTENSIVE OR ANTIARRHYTHMIA AGENTS, ALSO FOR TREATMENT OF ANGINA OR GLAUCOMA SANOFI (FR) 1996-10-15 US disclosed
US-5340820-A Useful for treatment of ocular diseases, angina pectoris, hypertension and arrhythmia ELF SANOFI (FR) 1994-08-23 US disclosed