SCHEMBL22212636

SCHEMBL22212636

COc1ccc(Cc2cc(C(=O)NC3CCCCC3)nc3c2CCNC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ CNR1 P21554 4/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ CNR2 P34972 3/20 0.44
▸ ABHD6 Q9BV23 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGDS O60760 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL19928776 0.89 CHRM1 (0.45) CNR1
SCHEMBL22212609 0.88 ALDH1A1 (0.46) CNR1RAB9ANPC1CNR2ALDH1A1
SCHEMBL19932638 0.88 CNR2 (0.46) CNR1RAB9ANPC1CNR2ABHD6
Hydrochloric Acid SCHEMBL21545736 0.88 CHRM1 (0.45) CNR1
SCHEMBL22212615 0.83 PARP1 (0.40) CNR1RAB9ANPC1CNR2ABHD6
SCHEMBL22212640 0.83 CHRM1 (0.51) CNR1CNR2
SCHEMBL22212656 0.83 PARP1 (0.42) CNR1RAB9ANPC1CNR2SMN1; SMN2
SCHEMBL22212644 0.81 CHRM1 (0.50) —
SCHEMBL22212653 0.81 PARP1 (0.46) CNR1RAB9ANPC1CNR2
SCHEMBL21935667 0.80 SMN1; SMN2 (0.48) EPHX2CNR1RAB9ANPC1CNR2

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
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