SCHEMBL9253634

SCHEMBL9253634

Cc1ccccc1C(=C1CC[N]CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ERCC5 P28715 1/20 0.34

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
SCHEMBL9256562 0.89 SMN1; SMN2 (0.40) CHRM3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9038594 0.83 HTR2A (0.53) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9257091 0.81 OPRM1 (0.44) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9249498 0.81 ALDH1A1 (0.40) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9253170 0.81 OPRM1 (0.48) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9258377 0.69 CES2 (0.42) NPC1HPGDALDH1A1ERCC5FEN1
SCHEMBL1774131 0.68 SETD7 (0.64) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL430940 0.66 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL336772 0.66 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL9613657 0.66 SETD7 (0.61) SETD7SMN1; SMN2HPGDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed