SCHEMBL7480932

SCHEMBL7480932

CCCCCCCCCCCCCCCCCCNCCC1CCCCN1CCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR5 Q9H228 3/20 0.48
S1PR4 O95977 1/20 0.44
OPRD1 P41143 1/20 0.40
DNM2 P50570 4/20 0.36
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CXCR4 P61073 6/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
DNM1 Q05193 1/20 0.34
SIGMAR1 Q99720 1/20 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
SCHEMBL7475360 0.95 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7478926 0.81 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7474468 0.79 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7471137 0.78 MEN1 (0.45)
SCHEMBL7479645 0.78 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL8198867 0.77 DPP4 (0.39) S1PR1S1PR3S1PR5
SCHEMBL14509683 0.76 OPRD1 (0.43) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7474461 0.76 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7478605 0.76 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7480020 0.75 MEN1 (0.47) DNM1

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
EP-0933361-B1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO CO LTD (JP) 2002-03-27 EP disclosed
US-6057337-A USEFUL FOR CARE, IMPROVEMENT OR PREVENTION OF HAIR LOSS SHISEIDO CO., LTD. (JP) 2000-05-02 US disclosed
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed