SCHEMBL7965752

SCHEMBL7965752

CC(C)(C)c1ccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
LTA4H P09960 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
ACKR3 P25106 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PIN1 Q13526 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34

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
SCHEMBL7964900 0.91 OPRL1 (0.41) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7953343 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7966948 0.90 OPRM1 (0.39) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7969551 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7965195 0.88 MEN1 (0.38) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7966382 0.88 OPRL1 (0.43) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7953566 0.88 OPRM1 (0.39) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7953451 0.88 LTA4H (0.38) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7969307 0.88 LTA4H (0.44) MEN1KMT2AALDH1A1LMNALTA4H
SCHEMBL7965171 0.88 DRD2 (0.41) MEN1KMT2AALDH1A1LMNALTA4H

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 5 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
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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