SCHEMBL7953579

SCHEMBL7953579

CC(C)c1ccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
TACR2 P21452 3/20 0.41
OPRL1 P41146 3/20 0.40
OPRM1 P35372 2/20 0.39
LTA4H P09960 2/20 0.38
TACR1 P25103 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 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
SCHEMBL7966953 0.91 OPRL1 (0.39) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7965175 0.91 OPRL1 (0.47) CCR1OPRL1OPRM1HTR1A
SCHEMBL7953348 0.91 MEN1 (0.47) CCR1OPRL1OPRM1LTA4HMEN1
SCHEMBL7200725 0.91 OPRL1 (0.41) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7969555 0.91 OPRL1 (0.45) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7966386 0.89 LTA4H (0.38) TACR2OPRL1OPRM1LTA4HMEN1
SCHEMBL7953456 0.89 OPRL1 (0.39) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7969312 0.89 LTA4H (0.45) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7965200 0.88 LTA4H (0.38) CCR1TACR2OPRL1OPRM1LTA4H
SCHEMBL7965755 0.88 TACR2 (0.40) CCR1TACR2OPRL1OPRM1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed