SCHEMBL7301802

SCHEMBL7301802

O=[N+]([O-])c1ccc(N2CCC(N3CCC(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 4/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
ESRRG P62508 1/20 0.52
SLC18A3 Q16572 2/20 0.51
GRIN2B Q13224 1/20 0.49
CYP2D6 P10635 1/20 0.49
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL242050 0.92 MAPT (0.59) TRPV6MEN1KMT2AMAPTCYP2C19
SCHEMBL6610401 0.86 MEN1 (0.59) TRPV6MEN1KMT2AMAPTCYP2C19
SCHEMBL6714666 0.84 MAPT (0.53) TRPV6MEN1KMT2AMAPTCYP2C19
SCHEMBL4336239 0.82 L3MBTL3 (0.69) MEN1KMT2AMAPTPOLBCYP2D6
SCHEMBL3513864 0.82 SLC18A3 (0.65) TRPV6MEN1KMT2AMAPTCYP2C19
SCHEMBL8438403 0.81 SLC18A3 (0.62) CYP2C9SLC18A3CYP2D6ALDH1A1
SCHEMBL77340 0.81 MAPT (0.71) MEN1KMT2AMAPTPOLBCYP2D6
SCHEMBL3574460 0.81 MAPT (0.71) MEN1KMT2AMAPTPOLBCYP2D6
SCHEMBL7300130 0.81 MAPT (0.55) MEN1KMT2AMAPTCYP2C19POLB
SCHEMBL521556 0.80 KMT2A (0.64) MEN1KMT2AMAPTPOLBL3MBTL3

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-0503411-B1 Substituted N-phenylpiperidines and medicaments thereof BASF AG (DE) 1995-11-29 EP disclosed
US-5296485-A Substituted N-phenylpiperidines and drugs therefrom BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed