SCHEMBL22809128

SCHEMBL22809128

C[C@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2cnc3ccccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.54
▸ TDO2 P48775 5/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C8 P10632 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL18806698 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17740992 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17762843 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17741009 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17741159 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17741156 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17741161 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17729231 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL18806765 1.00 IDO1 (0.54) IDO1TDO2CYP2C9CYP3A4CYP2C8
SCHEMBL17747174 0.90 IDO1 (0.52) IDO1TDO2CYP2C9CYP3A4CYP2C8

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
EP-3215153-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2020-12-23 — — EP disclosed
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