SCHEMBL7093029

SCHEMBL7093029

NCC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 2/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RPS6KB1 P23443 2/20 0.43
RPS6KA5 O75582 2/20 0.43
AKT1 P31749 2/20 0.43
GSK3B P49841 2/20 0.43
NEK4 P51957 2/20 0.43
PRKCD Q05655 2/20 0.43
PRKG2 Q13237 2/20 0.43
ROCK1 Q13464 2/20 0.43

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
SCHEMBL8790210 0.87 MAPT (0.56) TAAR1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11203104 0.83 HRH1 (0.54) TAAR1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL10780978 0.82 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17533175 0.82 CHRNB2 (0.49) TAAR1RPS6KB1RPS6KA5AKT1GSK3B
SCHEMBL11781440 0.82 ALDH1A1 (0.55) CYP1A2CYP2C19MAPTNPSR1RPS6KB1
SCHEMBL2328406 0.80 GAA (0.56) MAPTNPSR1TDP1KDM4EGAA
SCHEMBL2507116 0.78 SCN1A (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL430689 0.78 MAPKAPK2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17985414 0.78 SCN1A (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20095129 0.78 MAPKAPK2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
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
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed