SCHEMBL7684445

SCHEMBL7684445

CCC(CCN1CCOCC1)Nc1nc(C)nc2c1c1ccccc1n2-c1ccc(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 5/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 4/20 0.38
CYP3A4 P08684 4/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 3/20 0.38
CRHR1 P34998 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 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
SCHEMBL7684145 0.77 CRHR1 (0.54) TSHRALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7677447 0.76 CRHR1 (0.53) TSHRMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7684260 0.71 CRHR1 (0.48) TSHRALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7676298 0.71 CRHR1 (0.48) TSHRALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7554809 0.66 CRHR1 (0.56) CRHR1
SCHEMBL7783163 0.60 CRHR1 (0.39) MAPTALDH1A1TP53KDM4EHPGD
SCHEMBL13643834 0.59 LMNA (0.60) TSHRMAPTLMNACREBBPALDH1A1
SCHEMBL12864867 0.59 MAPT (0.64) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL20843105 0.57 BCL2L1 (0.57) MAPTLMNASMN1; SMN2HSD17B10MAPK1
SCHEMBL22335506 0.57 BCL2L1 (0.41) MAPTALDH1A1MAPK1POLBKMT2A

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
US-6362186-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-03-26 US claimed
US-6362186-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-03-26 US disclosed
US-6147085-A Aminoalkyl substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives NEUROGEN CORPORATION (US) 2000-11-14 US disclosed