SCHEMBL21409346

SCHEMBL21409346

Cc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.57
▸ GABRA1 P14867 3/20 0.57
▸ GABRB1 P18505 3/20 0.57
▸ GABRA5 P31644 3/20 0.57
▸ GABRA3 P34903 3/20 0.57
▸ GABRA2 P47869 3/20 0.57
▸ GABRB2 P47870 3/20 0.57
▸ GABRA4 P48169 3/20 0.57
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ NAMPT P43490 1/20 0.42

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
Hydrochloric Acid SCHEMBL31138067 0.99 GABRD (0.56) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30267149 0.90 CRBN (0.47) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30014379 0.87 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL25596266 0.87 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30267496 0.87 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21408866 0.87 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL30864123 0.86 GABRD (0.50) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816881 0.86 GABRD (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816878 0.86 GABRD (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL31722503 0.86 CHRM2 (0.43) GABRDGABRA1GABRB1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754858-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-10-11 — — CN disclosed
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 — — EP disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 — — WO disclosed
Send feedback