SCHEMBL8524117

SCHEMBL8524117

CCCC(N1CCNC(c2ccc(F)cc2)C1)n1c(=O)[nH]c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 4/20 0.36
▸ PLD1 Q13393 4/20 0.36
▸ DAO P14920 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ PGR P06401 1/20 0.34
▸ OPRM1 P35372 3/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32

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
SCHEMBL7085098 0.72 POLB (0.39) PLD2PLD1OPRM1CHRM1OPRL1
SCHEMBL8524115 0.71 HRH3 (0.41) PLD2PLD1DAOOPRM1HRH3
SCHEMBL4084714 0.66 PGR (0.64) DAOPGRGABRPGABRDGABRA1
SCHEMBL10742640 0.65 PDE9A (0.35) —
SCHEMBL1151978 0.63 P2RX7 (0.47) PLD2PLD1PGROPRM1HRH3
SCHEMBL3700830 0.62 GSK3B (0.46) GSK3B
SCHEMBL3700826 0.62 GSK3B (0.46) GSK3B
SCHEMBL18947215 0.62 EPHX2 (0.43) GSK3B
SCHEMBL7085096 0.61 POLB (0.44) PLD2PLD1OPRM1CHRM1OPRL1
SCHEMBL4084811 0.61 DAO (0.55) DAOPGR

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-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 — — US disclosed
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