SCHEMBL5836864

SCHEMBL5836864

CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cccc(F)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
OPRL1 P41146 4/20 0.39
HCRTR2 O43614 6/20 0.38
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
NOTUM Q6P988 1/20 0.33
CALCRL Q16602 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5836860 1.00 HTR2C (0.39) HTR2CHTR2BOPRL1HCRTR2HTR1A
SCHEMBL5836857 1.00 HTR2C (0.39) HTR2CHTR2BOPRL1HCRTR2HTR1A
SCHEMBL9419299 0.95 HTR2C (0.41) HTR2CHTR2BOPRL1HCRTR2HTR1A
SCHEMBL13293471 0.91 HTR2C (0.40) HTR2CHTR2BOPRL1HCRTR2HTR1A
SCHEMBL5837237 0.89 TRPV3 (0.36) OPRL1TRPV3
SCHEMBL5837247 0.89 TRPV3 (0.36) OPRL1TRPV3
SCHEMBL9247484 0.89 TRPV3 (0.36) OPRL1TRPV3
SCHEMBL5837243 0.89 TRPV3 (0.36) OPRL1TRPV3
SCHEMBL7566942 0.88 OPRL1 (0.42) HTR2CHTR2BOPRL1HCRTR2HTR1A
SCHEMBL7566935 0.88 OPRL1 (0.42) HTR2CHTR2BOPRL1HCRTR2HTR1A

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-7045176-B2 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-05-16 US disclosed
US-20040119051-A1 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. 2004-06-24 US disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed