SCHEMBL23106921

SCHEMBL23106921

Cc1ccc(N2CCN(C)CC2)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HRH4 Q9H3N8 4/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
ADRA2C P18825 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 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
SCHEMBL28825836 0.84 NCF1 (0.45) KDM4ESMN1; SMN2MAPTALDH1A1DPP4
SCHEMBL29814673 0.81 NCF1 (0.49) HTR3AHRH4KDM4EADRA2CPOLB
SCHEMBL20203510 0.81 NCF1 (0.49) HTR3AHRH4KDM4EADRA2CPOLB
SCHEMBL18823165 0.81 HTR3B (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL18291446 0.80 DRD3 (0.50) KDM4ESMN1; SMN2DRD2DRD3MAPT
SCHEMBL2366124 0.79 ADRB1 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23103328 0.79 HTR1A (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20203393 0.79 CDK4 (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16041235 0.78 HTR3E (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16040183 0.76 HTR3A (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C

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
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
CN-105209468-A Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed