SCHEMBL14371876

SCHEMBL14371876

CC(C)(C)C1C(=O)N(C(C)(C)C)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.39
▸ XIAP P98170 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SRD5A1 P18405 2/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL6904768 0.74 HTR2A (0.47) PRCP
SCHEMBL17414488 0.73 LMNA (0.39) POLB
SCHEMBL123507 0.69 KMT2A (0.44) ALDH1A1
SCHEMBL24119330 0.69 CYP2A6 (0.41) SRD5A1
SCHEMBL7772712 0.69 PRCP (0.42) PRCPSMN1; SMN2NPSR1TAAR1
SCHEMBL16230661 0.68 ANPEP (0.53) SMN1; SMN2
SCHEMBL24119518 0.68 CYP1A2 (0.52) SMN1; SMN2MTNR1B
SCHEMBL10204121 0.68 PRCP (0.42) PRCPDRD1CHRNA7TAAR1
SCHEMBL2608413 0.68 ALDH1A1 (0.48) DRD1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL29857924 0.68 ALDH1A1 (0.48) DRD1KDM4EALDH1A1POLBSMN1; SMN2

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
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 — — US disclosed
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