SCHEMBL8347455

SCHEMBL8347455

O=C(c1ccc(Cl)cc1)N1CCC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
PROKR1 Q8TCW9 11/20 0.55
GLA P06280 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
FASN P49327 1/20 0.52
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.51
MGLL Q99685 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL8355763 0.87 MEN1 (0.51) PROKR1NPC1RAB9AATMHPGD
SCHEMBL8350228 0.84 NPC1 (0.49) CCNCCDK8PROKR1NPC1RAB9A
SCHEMBL24855522 0.83 ALDH1A1 (0.56) PROKR1NPC1RAB9AATMHPGD
SCHEMBL29790471 0.83 ALDH1A1 (0.56) PROKR1NPC1RAB9AATMHPGD
SCHEMBL8347275 0.82 RHOA (0.53) PROKR1NPC1RAB9AATMMAPT
SCHEMBL8349619 0.82 TACR2 (0.51) PROKR1HPGDMAPTMGLLLMNA
SCHEMBL8347627 0.80 PDE4B (0.53) MGLLLMNA
SCHEMBL8352591 0.79 MGLL (0.57) PROKR1MGLL
SCHEMBL8353784 0.77 SMN1; SMN2 (0.57) PROKR1GLAMAPTMGLLLMNA
SCHEMBL8350555 0.77 SCD5 (0.53) MAPTLMNATP53

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-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed