SCHEMBL7953682

SCHEMBL7953682

Cc1ccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)c2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.47
LMNA P02545 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB1 P08588 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL7965363 0.89 PRMT5 (0.48) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7963395 0.87 LMNA (0.44) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7953297 0.86 LMNA (0.55) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7966028 0.85 ABCB1 (0.54) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7953684 0.84 OPRL1 (0.36) ABCB1ADRB1PRMT5WDR77ADRB2
SCHEMBL7969477 0.84 MAPT (0.50) ABCB1LMNAKMT2ASMN1; SMN2PRMT5
SCHEMBL7969773 0.83 ABCB1 (0.47) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7953681 0.83 ADRB2 (0.34) LMNAMEN1KMT2AADRB1PRMT5
SCHEMBL7953962 0.83 ABCB1 (0.54) ABCB1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8019951 0.83 MEN1 (0.49) ABCB1LMNAMEN1KMT2ASMN1; 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 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