SCHEMBL25630091

SCHEMBL25630091

C[C@@H](N)Cn1ccc2cc(OCc3ccccc3F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.62
▸ HTR2A P28223 14/20 0.56
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ PTPN1 P18031 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ MAOB P27338 1/20 0.43
▸ PARP15 Q460N3 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42

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
SCHEMBL31494780 1.00 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25630192 0.87 PPARD (0.45) HTR2CHTR2APTPN1PPARDMAOB
SCHEMBL31494794 0.87 PPARD (0.45) HTR2CHTR2APTPN1PPARDMAOB
SCHEMBL25420142 0.81 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL30488389 0.81 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25420145 0.81 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL31494797 0.81 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25630090 0.81 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL6098412 0.75 PPARD (0.49) PTPN1PPARD
SCHEMBL14527153 0.75 HTR2C (0.69) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

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-2023114238-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
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