SCHEMBL8710993

SCHEMBL8710993

CSc1ccc(N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C(=O)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
CCR3 P51677 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 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
SCHEMBL8711438 0.94 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8712286 0.90 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8711230 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8710854 0.90 MEN1 (0.47) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8711324 0.90 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8711420 0.89 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTMEN1KMT2A
Fumaric Acid SCHEMBL9230534 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTMEN1KMT2A
Fumaric Acid SCHEMBL9230536 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8712161 0.88 CYP2C9 (0.58) SMN1; SMN2LMNAHTTMEN1KMT2A
Fumaric Acid SCHEMBL8710768 0.87 MEN1 (0.47) SMN1; SMN2LMNAHTTMEN1KMT2A

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed