SCHEMBL13601742

SCHEMBL13601742

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL13601763 1.00 FKBP1A (0.44) FKBP1AL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL7258683 1.00 FKBP1A (0.44) FKBP1AL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL13601743 0.94 CHRM2 (0.43) FKBP1AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL9657734 0.94 CHRM2 (0.43) FKBP1AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL9657740 0.94 CHRM2 (0.43) FKBP1AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL13601765 0.94 CHRM2 (0.43) FKBP1AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL7262161 0.92 FKBP1A (0.46) FKBP1A
SCHEMBL13601739 0.90 PPM1B (0.41) FKBP1A
SCHEMBL13601762 0.90 PPM1B (0.41) FKBP1A
SCHEMBL7262210 0.89 NR1I2 (0.45) FKBP1AALDH1A1POLBSMN1; SMN2

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
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