SCHEMBL9634058

SCHEMBL9634058

CC1C(=O)N(Cc2ccccc2)CC1n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TBXAS1 P24557 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
BRD4 O60885 3/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 4/20 0.37
PREP P48147 1/20 0.36
CYP17A1 P05093 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL10503154 0.74 HPGD (0.51) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL13484174 0.73 HPGD (0.47) MAPTBRD4HPGDTSHRGRM2
SCHEMBL9633705 0.73 MC4R (0.46) MAPTBRD4HPGDTSHRGRM2
SCHEMBL9766998 0.72 HPGD (0.46) POLBCYP2D6BRD4HPGDTSHR
SCHEMBL3201676 0.71 DPP4 (0.50) BRD4HPGDTSHRGRM2PREP
SCHEMBL3185962 0.71 DPP4 (0.50) BRD4HPGDTSHRGRM2PREP
SCHEMBL3201687 0.71 DPP4 (0.50) BRD4HPGDTSHRGRM2PREP
SCHEMBL27623771 0.71 BRD4 (0.47) BRD4HPGDTSHRGRM2PREP
SCHEMBL9803156 0.69 HPGD (0.43) BRD4HPGDTSHRGRM2PREP
SCHEMBL9767456 0.69 HPGD (0.43) BRD4HPGDTSHRGRM2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149808-A Nootropics, antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1992-09-22 US disclosed
US-5073671-A Nootropic and antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1991-12-17 US disclosed
US-4833140-A ANTIHYPOXIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1989-05-23 US disclosed
US-4767759-A ANTIHYPOXICS BOEHRINGER INGELHEIM KG (DE) 1988-08-30 US disclosed