SCHEMBL8992952

SCHEMBL8992952

COc1ccccc1Cc1ccc(CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 1/20 0.48
TSHR P16473 1/20 0.43
IDO1 P14902 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTR7 P34969 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10711525 0.83 IDO1 (0.46) TSHRIDO1TAAR1CHRM2CHRM1
SCHEMBL198463 0.82 IDO1 (0.52) TSHRIDO1TAAR1CHRM2CHRM1
SCHEMBL621779 0.80 HTR1A (0.58) LTA4HTSHRIDO1TAAR1HTR1A
SCHEMBL3999884 0.80 DRD2 (0.53) TSHRHTR1AALDH1A1GAAMAPT
SCHEMBL8993391 0.79 CNR2 (0.44) NPC1THRBRAB9ATSHRHTR7
SCHEMBL7282070 0.79 LTA4H (0.62) LTA4HTSHRIDO1TAAR1CHRM2
SCHEMBL3153666 0.79 KMT2A (0.56) LTA4HIDO1TAAR1HTR1AADRA1D
SCHEMBL1682187 0.79 LTA4H (0.52) NPC1RAB9ALTA4HIDO1TAAR1
SCHEMBL8993373 0.79 LTA4H (0.43) NPC1RAB9ALTA4HTSHRTAAR1
SCHEMBL9470803 0.77 LTA4H (0.51) LTA4HIDO1TAAR1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
EP-0149077-B1 (3-ARYL-2,3-DIHYDROBENZOFURAN-3-YL)ALKYLAMINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-09-21 EP disclosed
US-4602035-A Antidepressant (3-aryl-2,3-dihydrobenzofuran-3-yl)alkylamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-07-22 US disclosed
EP-0149077-A1 (3-Aryl-2,3-dihydrobenzofuran-3-yl)alkylamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-07-24 EP disclosed