SCHEMBL9775976

SCHEMBL9775976

Cc1cc2ccccc2n1CCCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.58
KDM4E B2RXH2 3/20 0.49
TP53 P04637 3/20 0.49
ABCB1 P08183 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL9775899 0.98 FPR3 (0.57) FPR3KDM4ETP53ABCB1MEN1
SCHEMBL9776025 0.98 FPR3 (0.57) FPR3KDM4ETP53ABCB1MEN1
SCHEMBL9776162 0.86 ABCB1 (0.51) FPR3ABCB1MEN1KMT2AALDH1A1
SCHEMBL13783297 0.84 ABCB1 (0.52) FPR3KDM4ETP53ABCB1MEN1
SCHEMBL6326696 0.81 MEN1 (0.58) KDM4ETP53MEN1KMT2ATSHR
SCHEMBL30151601 0.81 MEN1 (0.58) KDM4ETP53MEN1KMT2ATSHR
SCHEMBL10412457 0.80 MEN1 (0.56) KDM4ETP53MEN1KMT2ATSHR
SCHEMBL11607923 0.80 MEN1 (0.56) KDM4ETP53MEN1KMT2ATSHR
SCHEMBL10413247 0.80 MEN1 (0.56) KDM4ETP53MEN1KMT2ATSHR
SCHEMBL11605849 0.80 MEN1 (0.56) KDM4ETP53MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023254-A Administering antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4943572-A 1-carbamoylalkyl-2-phenylindoles, pharmaceutical compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed