SCHEMBL3903201

SCHEMBL3903201

N#CN=C(N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.60
CYP3A4 P08684 10/20 0.60
RAMP1 O60894 2/20 0.49
CALCA P06881 2/20 0.44

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
SCHEMBL7144584 0.94 CALCRL (0.53) CALCRLCYP3A4RAMP1CALCA
SCHEMBL2026964 0.94 CALCRL (0.53) CALCRLCYP3A4RAMP1CALCA
SCHEMBL2032154 0.94 CALCRL (0.53) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3900985 0.89 CALCRL (0.47) CALCRLCYP3A4RAMP1CALCA
SCHEMBL2031664 0.89 CALCRL (0.46) CALCRLCYP3A4RAMP1CALCA
SCHEMBL7897787 0.89 CALCRL (0.54) CALCRLCYP3A4RAMP1CALCA
SCHEMBL4606989 0.85 CALCRL (0.64) CALCRLCYP3A4RAMP1CALCA
SCHEMBL2031611 0.80 CALCRL (0.56) CALCRLCYP3A4RAMP1CALCA
SCHEMBL2027778 0.77 CALCRL (0.64) CALCRLCYP3A4CALCA
SCHEMBL13313769 0.77 CALCRL (0.53) CALCRLCYP3A4RAMP1CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585940-B2 Use of CGRP antagonist compounds for treatment of psoriasis BIRKIR SVEINSSON (IS) 2017-03-07 US disclosed
US-20140220030-A1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS SVEINSSON, BIRKIR (IS) 2014-08-07 US disclosed
EP-1556020-B1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS ACTAVIS GROUP HF (IS) 2009-02-25 EP disclosed
EP-1556020-A2 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS Sveinsson, Birkir (IS) 2005-07-27 EP disclosed
WO-2004014351-A2 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS SVEINSSON BIRKIR (IS) 2004-02-19 WO disclosed
EP-1163239-B1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-28 EP disclosed
US-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 US disclosed