SCHEMBL9451629

SCHEMBL9451629

COC(=O)c1ccc(N2CCC(N(C)Cc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSP90AA1 P07900 1/20 0.59
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
LTA4H P09960 1/20 0.48
TSHR P16473 1/20 0.47
CCR5 P51681 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL9451652 0.89 MCHR1 (0.48) MCHR1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL3958170 0.89 ALDH1A1 (0.60) MCHR1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL3956758 0.88 MCHR1 (0.61) MCHR1LTA4HNPC1RAB9A
Fumaric Acid SCHEMBL9451568 0.82 MCHR1 (0.55) MCHR1KMT2A
Fumaric Acid SCHEMBL9451571 0.82 MCHR1 (0.55) MCHR1KMT2A
SCHEMBL7309056 0.81 MCHR1 (0.65) MCHR1ALDH1A1MAPTLTA4HNPC1
SCHEMBL16517731 0.81 LOXL2 (0.51) ALDH1A1HTTMAPTSMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL16506850 0.80 LOXL2 (0.50) ALDH1A1HTTMAPTSMN1; SMN2HSP90AA1
Fumaric Acid SCHEMBL9451679 0.79 SIGMAR1 (0.52) MCHR1ALDH1A1HTTMAPT
Fumaric Acid SCHEMBL9451677 0.79 SIGMAR1 (0.52) MCHR1ALDH1A1HTTMAPT

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-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed