SCHEMBL8705808

SCHEMBL8705808

CC(C)C(N)C=C1CNc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ GLB1 P16278 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3692774 0.73 NOS2 (0.41) NOS2JAK2ALOX15HSD17B10
SCHEMBL3692772 0.73 NOS2 (0.41) NOS2JAK2ALOX15HSD17B10
SCHEMBL30785015 0.73 NOS2 (0.41) NOS2JAK2ALOX15HSD17B10
SCHEMBL15291319 0.73 JAK2 (0.39) NOS2JAK2ALOX15HSD17B10
SCHEMBL28129799 0.70 MAOB (0.43) JAK2HSD17B10
SCHEMBL10871376 0.70 JAK2 (0.33) NOS2JAK2
SCHEMBL18830891 0.68 JAK2 (0.36) NOS2JAK2ALOX15HSD17B10
SCHEMBL29556997 0.66 JAK2 (0.36) NOS2JAK2ALOX15HSD17B10
SCHEMBL27755298 0.66 MAPT (0.52) PDGFRBCTRC
SCHEMBL16427343 0.66 KDR (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 — — US disclosed
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 — — EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 — — EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed
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