SCHEMBL21799616

SCHEMBL21799616

CCCCNCc1cccc(CN)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ CHRM2 P08172 3/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CXCR4 P61073 1/20 0.45
▸ MC4R P32245 2/20 0.45
▸ MC5R P33032 2/20 0.45
▸ MC3R P41968 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR5A P47898 1/20 0.44
▸ HTR6 P50406 1/20 0.44

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
SCHEMBL21799905 0.95 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21800076 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21799546 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21799931 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21800079 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21799980 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21800060 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21799656 0.93 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CHRM2HRH4
SCHEMBL21799942 0.89 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19CHRM2CXCR4
SCHEMBL17715564 0.85 HRH4 (0.63) CYP1A2CYP2D6CYP2C19CHRM2HRH4

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
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 — — US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 — — US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 — — EP disclosed
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