SCHEMBL7833181

SCHEMBL7833181

CCOC(=O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)CNC(=O)c1cc(NC=NN)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
GPR139 Q6DWJ6 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
CCR2 P41597 4/20 0.37
TACR1 P25103 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL6778988 0.88 RHOC (0.43) RHOCRHOAGPR139CCR2TACR1
SCHEMBL7346877 0.84 GPR139 (0.41) GPR139EPHX2SMN1; SMN2MEN1TP53
SCHEMBL7339448 0.81 GPR139 (0.40) GPR139EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL7839115 0.81 GPR139 (0.38) GPR139EPHX2TACR1SMN1; SMN2MEN1
SCHEMBL7341748 0.79 TACR1 (0.41) GPR139TACR1MEN1ALDH1A1TP53
SCHEMBL7347064 0.79 GPR139 (0.46) RHOCRHOAGPR139EPHX2CCR2
SCHEMBL7824080 0.78 ITGB3 (0.54) RHOCRHOAGPR139TACR1ALDH1A1
SCHEMBL7825718 0.78 TP53 (0.47) GPR139TACR1MEN1ALDH1A1TP53
SCHEMBL7339503 0.77 KMT2A (0.42) GPR139SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7338364 0.77 GPR139 (0.45) GPR139SMN1; SMN2KDM4EMEN1ALDH1A1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed