SCHEMBL16101072

SCHEMBL16101072

Nc1cc(F)ccc1NC1CCN(CC2CCCCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
CDK8 P49336 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL16101500 0.90 OPRM1 (0.46) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL14095204 0.88 HDAC1 (0.41) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL16128163 0.85 ALOX15 (0.46) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL16128161 0.85 OPRM1 (0.45) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL16128082 0.82 KDM4E (0.65) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL16128279 0.82 KDM4E (0.65) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL16128166 0.82 KDM4E (0.65) OPRM1OPRK1OPRL1KDM4EGAA
SCHEMBL16128231 0.82 KDM4E (0.38) OPRM1OPRK1OPRL1HDAC1HDAC2
SCHEMBL2935444 0.81 ACKR3 (0.46) OPRM1OPRL1KDM4EGAAMAPT
SCHEMBL16102722 0.80 ALOX15 (0.42) KDM4EGAAMAPTCHEK1NTRK1

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
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
EP-2976077-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS The Scripps Research Institute (US) 2016-01-27 EP disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 WO disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 WO disclosed