SCHEMBL6959104

SCHEMBL6959104

Cc1cc(C)cc(N2CCN(C(=O)Nc3cc(-c4cccnc4)nc4ccccc34)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.52
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ROCK1 Q13464 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL6960683 0.89 TRPV1 (0.53) TRPV1LMNAALDH1A1KMT2AMEN1
SCHEMBL6966521 0.74 METAP1 (0.57) TRPV1LMNAALDH1A1KMT2AGAA
SCHEMBL6961546 0.74 KDM4E (0.48) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL3598140 0.71 PKM (0.56) PKM
SCHEMBL6966930 0.71 KMT2A (0.47) TRPV1LMNAALDH1A1KMT2AGAA
SCHEMBL6782052 0.70 RBP4 (0.58) TRPV1LMNAALDH1A1KMT2AGAA
SCHEMBL3588436 0.70 PKM (0.59) PKM
SCHEMBL7623427 0.69 MAPT (0.44) TRPV1LMNAALDH1A1KMT2AMEN1
SCHEMBL3269610 0.69 FAAH (0.60) TRPV1KMT2AMEN1HTTCYP2C9
SCHEMBL20014197 0.69 CYP2C9 (0.75) LMNAALDH1A1KMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 — — EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 — — US disclosed
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