SCHEMBL13601762

SCHEMBL13601762

CCCOC(=O)[C@@H]1CCCN1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
FKBP1A P62942 12/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 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
SCHEMBL13601739 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCFKBP1ACYP3A4
SCHEMBL26039280 0.95 FKBP1A (0.43) PPM1BPTPN1PPP1CCFKBP1A
SCHEMBL7258683 0.90 FKBP1A (0.44) FKBP1A
SCHEMBL13601763 0.90 FKBP1A (0.44) FKBP1A
SCHEMBL13601742 0.90 FKBP1A (0.44) FKBP1A
SCHEMBL7262161 0.88 FKBP1A (0.46) FKBP1A
SCHEMBL9657734 0.87 CHRM2 (0.43) FKBP1A
SCHEMBL13601765 0.87 CHRM2 (0.43) FKBP1A
SCHEMBL13601743 0.87 CHRM2 (0.43) FKBP1A
SCHEMBL9657740 0.87 CHRM2 (0.43) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed