SCHEMBL11206162

SCHEMBL11206162

OC1(c2ccccc2Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.65
POLB P06746 1/20 0.58
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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 SCHEMBL11199734 0.99 OPRL1 (0.64) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL11195174 0.92 OPRL1 (0.77) OPRL1POLBKDM4EKMT2ACCR3
Hydrochloric Acid SCHEMBL11193622 0.90 OPRL1 (0.75) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL350525 0.89 OPRL1 (0.65) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL6860104 0.85 SIGMAR1 (0.54) OPRL1POLBKDM4EKMT2ASIGMAR1
SCHEMBL11204348 0.84 OPRL1 (0.55) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL11202280 0.84 OPRL1 (0.56) OPRL1POLBKDM4EKMT2ACCR3
Hydrochloric Acid SCHEMBL11199939 0.83 OPRL1 (0.54) OPRL1POLBKDM4EKMT2ACCR3
Bromide SCHEMBL11203082 0.83 OPRL1 (0.55) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL10226080 0.82 OPRL1 (0.81) OPRL1POLBKDM4EKMT2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414219-A ANTICONVULSANTS, TRANQUILIZERS, ANALGESTICS AMERICAN HOECHST CORPORATION (US) 1983-11-08 US claimed