SCHEMBL11034385

SCHEMBL11034385

O=C(O)COCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 4/20 0.53
HRH1 P35367 3/20 0.50
SLC6A2 P23975 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TEK Q02763 1/20 0.50
KCNH2 Q12809 1/20 0.50
SETD7 Q8WTS6 1/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RX7 Q99572 1/20 0.49
HTR7 P34969 1/20 0.45
TACR1 P25103 2/20 0.43
FNTA P49354 1/20 0.43

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
Hydrochloric Acid SCHEMBL11034985 0.99 OPRD1 (0.52) OPRD1OPRM1OPRK1HRH1SLC6A2
Pibaxizine SCHEMBL1231070 0.97 OPRD1 (0.51) OPRD1OPRM1OPRK1HRH1SLC6A2
Pibaxizine SCHEMBL11033265 0.96 OPRD1 (0.50) OPRD1OPRM1OPRK1HRH1SLC6A2
SCHEMBL11037158 0.93 HTR2A (0.52) OPRD1OPRM1OPRK1HRH1SLC6A2
Hydrochloric Acid SCHEMBL11034935 0.92 HRH1 (0.59) OPRD1OPRM1OPRK1HRH1SLC6A2
SCHEMBL11037025 0.91 HRH1 (0.56) OPRD1OPRM1OPRK1HRH1SLC6A2
Hydrochloric Acid SCHEMBL11035289 0.89 HRH1 (0.57) OPRD1OPRM1OPRK1HRH1SLC6A2
Hydrochloric Acid SCHEMBL11034928 0.89 DRD3 (0.50) OPRD1OPRM1OPRK1HRH1HTR2A
SCHEMBL11035757 0.88 HRH1 (0.48) OPRD1OPRM1OPRK1HRH1SLC6A2
SCHEMBL11034834 0.87 OPRD1 (0.52) OPRD1OPRM1OPRK1HTR2AHTR2B

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
EP-0048705-B1 2-(4-(DIPHENYLMETHYLENE)-1-PIPERIDINYL)-ACETIC ACIDS AND THEIR AMIDES, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM U C B, S.A. (BE) 1984-07-11 EP claimed
US-4443460-A ANTIALLERGENS, ANTIHISTAMINES, ANTISPASMODICS, BRONCHODILATORS UCB, SOCIETE ANONYME (BE) 1984-04-17 US disclosed