SCHEMBL24836136

SCHEMBL24836136

CNc1ccc(CCCc2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
MAOB P27338 4/20 0.52
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 2/20 0.45
HTR2A P28223 2/20 0.42
CYP19A1 P11511 4/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RECQL P46063 1/20 0.38
HTR6 P50406 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
SCHEMBL28326928 0.89 TSHR (0.43) ALDH1A1TSHRHTR2ASIGMAR1RECQL
SCHEMBL922759 0.85 ALDH1A1 (0.67) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL26463210 0.84 MAOB (0.46) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL421341 0.82 GFER (0.77) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL12110702 0.82 GFER (0.77) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL2914010 0.82 GFER (0.77) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL525926 0.82
SCHEMBL7018335 0.80 TAAR1 (0.56) MAOBALDH1A1TDP1HTR2ALOXL2
SCHEMBL6363967 0.80 CYP3A4 (0.74) GFERMAOBALDH1A1CYP3A4TSHR
SCHEMBL6362172 0.80 CYP3A4 (0.74) GFERMAOBALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278604-A1 PHARMACOLOGICAL AGENTS FOR TREATING OPHTHALMIC DISEASES PLEX PHARMACEUTICALS, INC. (US) 2023-01-05 WO disclosed