SCHEMBL4720730

SCHEMBL4720730

Nc1c(Cl)cc(C[C@@H](N)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.49
CALCRL Q16602 1/20 0.49
LRRK2 Q5S007 1/20 0.43
DPP8 Q6V1X1 2/20 0.42
CHRM1 P11229 2/20 0.41
ALOX15 P16050 1/20 0.41
ADRB2 P07550 2/20 0.40
CALCA P06881 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TACR1 P25103 5/20 0.38
DPP4 P27487 2/20 0.38
FAP Q12884 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MCHR1 Q99705 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL4718770 1.00 RAMP1 (0.49) RAMP1CALCRLLRRK2DPP8CHRM1
Hydrochloric Acid SCHEMBL3306020 0.99 RAMP1 (0.49) RAMP1CALCRLLRRK2DPP8CHRM1
SCHEMBL4720819 0.97 RAMP1 (0.50) RAMP1CALCRLLRRK2DPP8CHRM1
SCHEMBL5248991 0.90 RAMP1 (0.59) RAMP1CALCRLDPP8CHRM1ADRB2
SCHEMBL4720733 0.84 RAMP1 (0.44) RAMP1CALCRLDPP8ADRB2DPP4
SCHEMBL13361289 0.83 RAMP1 (0.48) RAMP1CALCRLDPP8ADRB2DPP4
SCHEMBL3314750 0.81 RAMP1 (0.59) RAMP1CALCRLCHRM1ADRB2CALCA
SCHEMBL3314758 0.81 RAMP1 (0.59) RAMP1CALCRLCHRM1ADRB2CALCA
Trifluoroacetic Acid SCHEMBL7008582 0.79 DPP4 (0.48) CALCRLDPP8CHRM1ALOX15CYP3A4
SCHEMBL3960017 0.79 DPP8 (0.47) CALCRLLRRK2DPP8CHRM1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed