SCHEMBL7653489

SCHEMBL7653489

CN(Cc1ccc(N2CCN(c3ncccn3)CC2)cc1)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ITGAV P06756 2/20 0.42
AVPR1A P37288 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
RORC P51449 8/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MLLT1 Q03111 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORB Q92753 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
SCHEMBL7651226 0.90 ITGB3 (0.46) ITGB3ITGA2BITGAVMMP2RORC
SCHEMBL7654994 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP2MMP13
SCHEMBL7652999 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVNPC1RAB9A
SCHEMBL7653506 0.81 NPC1 (0.42) ITGB3ITGA2BNPC1RAB9ARORC
SCHEMBL7649922 0.80 ITGB3 (0.47) ITGB3ITGA2BITGAVAVPR1ANPC1
SCHEMBL7651238 0.79 LMNA (0.41) ITGB3ITGA2BNPC1RAB9ARORC
SCHEMBL7654405 0.78 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7653549 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAVNPC1RAB9A
SCHEMBL7653684 0.76 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7652565 0.74 ITGB3 (0.52) ITGB3ITGA2BITGAVRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed