SCHEMBL11714775

SCHEMBL11714775

CN1CCNC(c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GID4 Q8IVV7 4/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.40
RECQL P46063 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL14677138 0.83 SLC6A2 (0.45) PRCPGAAKDM4EALDH1A1GID4
SCHEMBL17533367 0.83 PRCP (0.43) PRCPGAAGID4SLC6A2ADRA1A
SCHEMBL11679438 0.82 PRCP (0.41) PRCPGAAKDM4EALDH1A1GID4
SCHEMBL11712957 0.82 GID4 (0.40) PRCPGAAKDM4EALDH1A1GID4
SCHEMBL11715268 0.80 PRCP (0.45) PRCPGAAKDM4EALDH1A1GID4
SCHEMBL11719209 0.79 KDM1A (0.40) PRCPKDM4EALDH1A1MEN1KMT2A
SCHEMBL11680063 0.77 HTT (0.46) GAAALDH1A1MEN1KMT2AKDM1A
SCHEMBL6068770 0.76 KDM4E (0.47) PRCPGAAKDM4EALDH1A1MEN1
SCHEMBL11681157 0.72 KDM4E (0.39) PRCPGAAKDM4EALDH1A1GID4
SCHEMBL15583215 0.72 BRD4 (0.41) PRCPGAAKMT2ASLC6A2ADRA1A

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-4002611-A Preparation of benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-11 US disclosed