SCHEMBL11266562

SCHEMBL11266562

CCC1CCCCN1N(C(C)=O)c1nc2cc3nc(N)sc3cc2s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.39
▸ KCNH2 Q12809 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 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
SCHEMBL11256464 0.94 POLB (0.40) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11268000 0.86 OPRM1 (0.37) POLBOPRM1OPRD1OPRK1LMNA
SCHEMBL11265290 0.84 AKR1C3 (0.36) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11272890 0.83 OPRM1 (0.38) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11258040 0.80 OPRM1 (0.37) OPRM1OPRD1OPRK1ALDH1A1CYP1A2
SCHEMBL11256220 0.77 EPHX2 (0.41) DRD2KCNH2OPRM1OPRD1OPRK1
SCHEMBL11269476 0.77 KDM4E (0.40) POLBOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11257677 0.76 DRD2 (0.40) DRD2KCNH2OPRM1OPRD1OPRK1
Water SCHEMBL11255617 0.75 DRD2 (0.39) DRD2KCNH2OPRM1OPRD1OPRK1
SCHEMBL11266555 0.74 ALDH1A1 (0.48) POLBALDH1A1LMNANPC1MEN1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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