SCHEMBL27607134

SCHEMBL27607134

N#CCC1CC(c2ccccc2)CN1C=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ USP30 Q70CQ3 4/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.31
▸ SRD5A1 P18405 1/20 0.31

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
SCHEMBL12604444 0.75 BRD4 (0.38) HPGDTSHRBRD4GRIN2BSRD5A1
SCHEMBL6644856 0.70 PSEN1 (0.42) —
SCHEMBL5764949 0.70 PSEN1 (0.42) —
SCHEMBL6217567 0.70 PSEN1 (0.42) —
SCHEMBL20031256 0.65 BRD4 (0.46) HPGDTSHRBRD4SRD5A1
SCHEMBL3712312 0.65 DRD2 (0.47) —
SCHEMBL12232914 0.64 AKR1C3 (0.43) —
SCHEMBL3713299 0.63 DRD2 (0.48) —
SCHEMBL9980195 0.63 BRD4 (0.38) HPGDTSHRBRD4GRIN2BSRD5A1
SCHEMBL22287239 0.62 MAPT (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371336-C Pyrrole derivatives for the treatment of cytokine mediated diseases SANKYO CO (JP) 2008-02-27 — — CN disclosed
CN-1553911-A pyrrole derivatives, their preparation and their therapeutic use ������������ʽ���� 2004-12-08 — — CN disclosed
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