SCHEMBL7485307

SCHEMBL7485307

N#Cc1ccc2ccc(CC[C@H]3CCCN3C(=O)[C@H]3CCCN3C(=O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.43
▸ TACR1 P25103 2/20 0.38
▸ KDM2B Q8NHM5 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CASR P41180 1/20 0.36

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
SCHEMBL7494232 0.97 HRH3 (0.46) HRH3TACR1KDM2BHCRTR1HCRTR2
SCHEMBL7441827 0.89 HRH3 (0.44) HRH3TACR1KDM2BDPP4FAP
SCHEMBL7447010 0.83 DPP4 (0.46) HRH3DPP4FAPDPP8DPP9
SCHEMBL7485707 0.83 DPP4 (0.46) HRH3DPP4FAPDPP8DPP9
SCHEMBL7488283 0.82 HRH3 (0.43) HRH3TACR1DPP4FAPDPP8
SCHEMBL7488272 0.82 HRH3 (0.43) HRH3TACR1DPP4FAPDPP8
SCHEMBL7490476 0.82 UTS2R (0.43) HRH3TACR1DPP4CASR
SCHEMBL7490486 0.82 UTS2R (0.43) HRH3TACR1DPP4CASR
SCHEMBL7491320 0.82 HRH3 (0.46) HRH3
SCHEMBL7491853 0.82 HRH3 (0.52) HRH3

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
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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