SCHEMBL8196322

SCHEMBL8196322

COc1ccc(CCCCN[C]=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
F2RL1 P55085 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL5944075 0.88 SMN1; SMN2 (0.57) POLBSMN1; SMN2CA12CA1CA2
SCHEMBL4254058 0.80 CALM1 (0.72) CALM1IGF1RALOX15CA12CA1
SCHEMBL5537488 0.78 SLC6A5 (0.44)
SCHEMBL8196325 0.78 CHRM2 (0.53) CALM1POLBSMN1; SMN2IGF1RALOX15
SCHEMBL17400406 0.78 CALM1 (0.69) CALM1IGF1RALOX15CA12CA1
SCHEMBL10571532 0.78 CALM1 (0.69) CALM1IGF1RALOX15CA12CA1
SCHEMBL11007798 0.78 CALM1 (0.69) CALM1IGF1RALOX15CA12CA1
SCHEMBL9509173 0.78 CALM1 (0.69) CALM1IGF1RALOX15CA12CA1
SCHEMBL17372688 0.77 CALM1 (0.55) CALM1POLBSMN1; SMN2IGF1RALOX15
SCHEMBL13886531 0.77 SIGMAR1 (0.61) CALM1POLBSMN1; SMN2IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 US disclosed
US-5962530-A NEUROPEPTIDE Y ANTAGONIST DR. KARL THOMAE GMBH (DE) 1999-10-05 US disclosed
EP-0865426-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS Dr. Karl Thomae GmbH (DE) 1998-09-23 EP disclosed
WO-1997019914-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed