SCHEMBL7787741

SCHEMBL7787741

O=C(NCCc1ccccc1)[C@@H]1C[C@H]1c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.52
TAAR1 Q96RJ0 7/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL7787742 1.00 MC4R (0.52) MC4RTAAR1POLBGAASIGMAR1
Hydrochloric Acid SCHEMBL7787633 0.99 MC4R (0.51) MC4RTAAR1POLBGAASIGMAR1
Hydrochloric Acid SCHEMBL7787634 0.99 MC4R (0.51) MC4RTAAR1POLBGAASIGMAR1
SCHEMBL7779656 0.93 KMT2A (0.48) MC4RTAAR1POLBGAASIGMAR1
SCHEMBL7786460 0.93 KMT2A (0.48) MC4RTAAR1POLBGAASIGMAR1
SCHEMBL7779659 0.93 KMT2A (0.48) MC4RTAAR1POLBGAASIGMAR1
Hydrochloric Acid SCHEMBL8477512 0.92 KMT2A (0.47) MC4RTAAR1POLBGAASIGMAR1
SCHEMBL8477270 0.88 MC4R (0.55) MC4RPOLBGAASIGMAR1TLR2
SCHEMBL7784237 0.88 MC4R (0.55) MC4RPOLBGAASIGMAR1TLR2
Hydrochloric Acid SCHEMBL7786422 0.87 MC4R (0.53) MC4RPOLBGAASIGMAR1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837679-B1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 2001-10-24 EP disclosed
US-6008240-A AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-12-28 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed