SCHEMBL29516144

SCHEMBL29516144

CN1Cc2ccccc2CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
OPRM1 P35372 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD3 P35462 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
DAB2IP Q5VWQ8 1/20 0.37

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
SCHEMBL8028903 1.00 MAOA (0.43) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL21726113 0.79 MAOA (0.41) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL6650511 0.75 HTR1A (0.39) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL6650509 0.75 HTR1A (0.39) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL26304560 0.75 ALDH1A1 (0.37) OPRM1ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL26956225 0.75 BRD4 (0.42) SMN1; SMN2KMT2ABRD4
SCHEMBL26956222 0.75 BRD4 (0.42) SMN1; SMN2KMT2ABRD4
SCHEMBL7656239 0.75 NR1H2 (0.35) OPRM1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL29515878 0.74 ABHD6 (0.36) ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL26956223 0.74 ABHD6 (0.36) ALDH1A1KMT2AHSD17B10HPGD

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
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed