SCHEMBL9727199

SCHEMBL9727199

CN1CCC(NC(=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
POLB P06746 2/20 0.59
HRH4 Q9H3N8 1/20 0.59
NPC1 O15118 6/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NR1I2 O75469 1/20 0.53
AHR P35869 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
UTS2R Q9UKP6 1/20 0.52
MAOB P27338 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
SCHEMBL6084174 0.84 RAB9A (0.78) RAB9APOLBNPC1ALDH1A1HPGD
SCHEMBL6084166 0.84 RAB9A (0.78) RAB9APOLBNPC1ALDH1A1HPGD
SCHEMBL9727131 0.83 MAOB (0.74) RAB9AUTS2RMAOB
Hydrochloric Acid SCHEMBL9343546 0.81 RAB9A (0.76) RAB9APOLBNPC1ALDH1A1HPGD
SCHEMBL9727166 0.80 ACHE (0.66) RAB9ANPC1SMN1; SMN2TP53UTS2R
SCHEMBL9727126 0.80 RAB9A (0.70) RAB9APOLBNPC1ALDH1A1HPGD
SCHEMBL9727117 0.80 DRD4 (0.67) RAB9ANPC1NPSR1SMN1; SMN2TP53
SCHEMBL16927793 0.79 MAOB (0.63) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9852059 0.79 UTS2R (0.64) RAB9ANPC1SMN1; SMN2TP53UTS2R
SCHEMBL9727091 0.79 DRD4 (0.70) RAB9AALDH1A1HPGDKDM4EUTS2R

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-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed